2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal

C10H18O2 — CID 135079183

IUPAC2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal
SMILESCC(C)=C(C)COC(C)(C)C=O
InChIInChI=1S/C10H18O2/c1-8(2)9(3)6-12-10(4,5)7-11/h7H,6H2,1-5H3
InChIKeyZQUVBMVXDANKKM-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.34
Rot. Bonds4

About 2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal

2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal (PubChem CID 135079183) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal.

Molecular Properties

Compound Name2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal
PubChem CID135079183
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal
SMILESCC(C)=C(C)COC(C)(C)C=O
InChIInChI=1S/C10H18O2/c1-8(2)9(3)6-12-10(4,5)7-11/h7H,6H2,1-5H3
InChIKeyZQUVBMVXDANKKM-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal?
The IUPAC name of 2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal (CID 135079183) is 2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal.
What is the SMILES notation for 2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal?
The canonical SMILES for 2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal is CC(C)=C(C)COC(C)(C)C=O.
What is the InChIKey of 2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal?
The InChIKey is ZQUVBMVXDANKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)9(3)6-12-10(4,5)7-11/h7H,6H2,1-5H3.
What are the key properties of 2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal?
2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal has a molecular weight of 170.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal is sourced from PubChem (CID 135079183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).